Crystallography Open Database

Information card for entry 1506884

Preview

Coordinates	1506884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H88 O5 P4 Pt2
Calculated formula	C74 H83.25 O5 P4 Pt2
SMILES	[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2cc3ccccc3c(c2O)c2c3ccccc3cc(c2O)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2cc3c(c(c4c5c(cc(C#C1)c4O)cccc5)c2O)cccc3.O(CC)C(=O)C
Title of publication	Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.
Authors of publication	Hua, Jiang; Lin, Wenbin
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	6
Pages of publication	861 - 864
a	13.9988 ± 0.001 Å
b	38.171 ± 0.003 Å
c	14.5336 ± 0.0011 Å
α	90°
β	114.387 ± 0.001°
γ	90°
Cell volume	7073.1 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506884.cif
137402	2015-05-27	cif/1 Fixing Z values and formulae	1506884.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506884.cif
51520	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506883, 1506884 via cif-deposit CGI script.	1506884.cif